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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 6' and Ligand = 'BDBM50504950'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50504950
PNG
(CHEMBL4573963)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C20H23ClN2O5S2/c21-17-12-18(29(25,26)15-9-5-2-6-10-15)16(11-19(17)30(22,27)28)20(24)23-13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.530n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 6 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50504950
PNG
(CHEMBL4573963)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C20H23ClN2O5S2/c21-17-12-18(29(25,26)15-9-5-2-6-10-15)16(11-19(17)30(22,27)28)20(24)23-13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 110n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 6 expressed in Escherichia coli expression system assessed as observed dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair